Bioactive Compound Details

BioIDbio1167
NameCLEOMISCOSIN C
ChEMBL IDCHEMBL465491
Molecular FormulaC21H20O9
Molecular Weight416.38
Molecular Weight (Monoisotopic)416.1107
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCleomiscosin C
SmilesCOc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)cc(OC)c1O
InchiInChI=1S/C21H20O9/c1-25-12-7-11(8-13(26-2)17(12)24)18-15(9-22)28-21-19-10(4-5-16(23)29-19)6-14(27-3)20(21)30-18/h4-8,15,18,22,24H,9H2,1-3H3/t15-,18-/m1/s1
Inchi KeyGZXPCBAETDEQAX-CRAIPNDOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.76
Records Key['5']
Records Name['Cleomiscosin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure